CAS RN: 2093305-05-4
L-Isoleucinamide, O-(phosphono-κO)-N-(1-oxohexyl)-L-tyrosyl-N-(6-amino-6-oxohexyl)-
Product Availability
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7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260423 | 5mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250504 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250608 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260127 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260515 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250309 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260129 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2093305-05-4
- Purity/Analytical Methods: >99.0%
2093305-05-4 / [4-[(2S)-3-[[(2S,3S)-1-[(6-amino-6-oxohexyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-(hexanoylamino)-3-oxopropyl]phenyl] dihydrogen phosphate
Basic Information
CAS
2093305-05-4
Multi CAS
No
Molecular Formula
C27H45N4O8P
Molecular Weight
584.600000
Exact Mass
584.297501
SMILES
CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCCCC(=O)N
InChI
InChI=1S/C27H45N4O8P/c1-4-6-8-12-24(33)30-22(18-20-13-15-21(16-14-20)39-40(36,37)38)26(34)31-25(19(3)5-2)27(35)29-17-10-7-9-11-23(28)32/h13-16,19,22,25H,4-12,17-18H2,1-3H3,(H2,28,32)(H,29,35)(H,30,33)(H,31,34)(H2,36,37,38)/t19-,22-,25-/m0/s1
InChIKey
MBYDCPOKVKDSFD-JTJYXVOQSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
20
H-bond acceptors
6
H-bond donors
6
Molar refractivity
150.95
TPSA
197.15
LogP / Solubility
WLOGP
2.46
MLOGP
2.21
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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